PDB
7EIB
Resolution
3.0 Å
Released
Oct. 13, 2021
Receptor
B1
Class
A
Species
Homo sapiens
Ligand
Function
[des-Arg10]kallidin (Human)
Agonist
Reference
10.1038/S41594-021-00645-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
[des-Arg10]kallidin (Human) W33 1.28x28 TM1 aromatic (pi-cation)
[des-Arg10]kallidin (Human) F86 2.53x53 TM2 hydrophobic
[des-Arg10]kallidin (Human) W93 2.60x60 TM2 hydrophobic
[des-Arg10]kallidin (Human) F101 ECL1 hydrophobic
[des-Arg10]kallidin (Human) F101 ECL1 aromatic (edge-to-face)
[des-Arg10]kallidin (Human) N114 3.29x29 TM3 Van der Waals
[des-Arg10]kallidin (Human) I117 3.32x32 TM3 hydrophobic
[des-Arg10]kallidin (Human) K118 3.33x33 TM3 polar (charge-charge)
[des-Arg10]kallidin (Human) L121 3.36x36 TM3 hydrophobic
[des-Arg10]kallidin (Human) R176 4.64x65 TM4 polar (hydrogen bond)
[des-Arg10]kallidin (Human) R176 4.64x65 TM4 polar (charge-charge)
[des-Arg10]kallidin (Human) V181 ECL2 hydrophobic
[des-Arg10]kallidin (Human) L184 ECL2 hydrophobic
[des-Arg10]kallidin (Human) I186 ECL2 Van der Waals
[des-Arg10]kallidin (Human) A188 ECL2 Van der Waals
[des-Arg10]kallidin (Human) C189 45.50x50 ECL2 Van der Waals
[des-Arg10]kallidin (Human) I190 45.51x51 ECL2 hydrophobic
[des-Arg10]kallidin (Human) L191 45.52x52 ECL2 polar (hydrogen bond with backbone)
[des-Arg10]kallidin (Human) L193 ECL2 Van der Waals
[des-Arg10]kallidin (Human) H199 5.35x36 TM5 Van der Waals
[des-Arg10]kallidin (Human) R202 5.38x39 TM5 polar (hydrogen bond)
[des-Arg10]kallidin (Human) R202 5.38x39 TM5 polar (charge-charge)
[des-Arg10]kallidin (Human) W263 6.48x48 TM6 hydrophobic
[des-Arg10]kallidin (Human) Y266 6.51x51 TM6 hydrophobic
[des-Arg10]kallidin (Human) Y266 6.51x51 TM6 aromatic (edge-to-face)
[des-Arg10]kallidin (Human) E273 6.58x58 TM6 polar (hydrogen bond)
[des-Arg10]kallidin (Human) E273 6.58x58 TM6 polar (charge-charge)
[des-Arg10]kallidin (Human) F276 6.61x61 TM6 hydrophobic
[des-Arg10]kallidin (Human) F276 6.61x61 TM6 aromatic (pi-cation)
[des-Arg10]kallidin (Human) Q277 6.62x62 TM6 Van der Waals
[des-Arg10]kallidin (Human) E287 7.28x27 TM7 polar (hydrogen bond)
[des-Arg10]kallidin (Human) E287 7.28x27 TM7 polar (charge-charge)
[des-Arg10]kallidin (Human) D291 7.32x31 TM7 polar (charge-charge)
[des-Arg10]kallidin (Human) D291 7.32x31 TM7 polar (hydrogen bond)
[des-Arg10]kallidin (Human) Q295 7.36x35 TM7 Van der Waals
[des-Arg10]kallidin (Human) N298 7.39x38 TM7 polar (hydrogen bond)
[des-Arg10]kallidin (Human) F299 7.40x39 TM7 hydrophobic
[des-Arg10]kallidin (Human) A301 7.42x41 TM7 hydrophobic
[des-Arg10]kallidin (Human) F302 7.43x42 TM7 hydrophobic

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ICL1 R R Q L ICL1ECL1 F N W P F ECL1ICL2 P M A S R R Q ICL2ECL2 S I Q A V P D L N I T A C I L L L P ECL2ICL3 C G G R K D ICL3ECL3 A V R ECL3N-term M A S S W P P L E L Q S S N Q S Q L F P Q N A T A C D N A N-termC-term Q C T P K S L A P I S S S H R K E I F Q L F W R N C-term P E A W D L L H R V L P T F I I S I C F F G L L G N L F V L L V F L L P N V A E I Y L A N L A A S D L V F V L G L P F W A E N I W N Q G A L L C R V I N G V I K A N L F I S I F L V V A I S Q D R Y R V L V H Q R R R Q A R V T C V L I W V V G G L L S I P T F L L R H E A W H F A R I V E L N I L G F L L P L A A I V F F N Y H I L A S L R T R E E V S R T R S K T T A L I L T L V V A F L V C W A P Y H F F A F L E F L F Q V Q G C F W E D F I D L G L Q L A N F F A F T N S S L N P V I Y V F V G R L V W E F R T K L Y K
Helix box plot — Download: PNG | SVG L N G L L G F F C I S I I F T P L V R H 1 A N L A A S D L V F V L G L P F W A E N 2 A V V L F I S I F L N A K I V G N I V R 3 A R V T C V L I W V V G G L L S I P T 4 N F F V I A A L P L L F G L I N L E V I R 5 L T L V V A F L V C W A P Y H F F A F L 6 V P N L S S N T F A F F N A L Q L G L 7

GPCRdb(A)
GPCRdb(A)
B1 receptor
TM1
1x28 1.28x28 W33
TM2
2x53 2.53x53 F86
2x60 2.60x60 W93
TM3
3x29 3.29x29 N114
3x32 3.32x32 I117
3x33 3.33x33 K118
3x36 3.36x36 L121
TM4
4x65 4.64x65 R176
ECL2
45x50 45.50x50 C189
45x51 45.51x51 I190
45x52 45.52x52 L191
TM5
5x36 5.35x36 H199
5x39 5.38x39 R202
TM6
6x48 6.48x48 W263
6x51 6.51x51 Y266
6x58 6.58x58 E273
6x61 6.61x61 F276
6x62 6.62x62 Q277
TM7
7x27 7.28x27 E287
7x31 7.32x31 D291
7x35 7.36x35 Q295
7x38 7.39x38 N298
7x39 7.40x39 F299
7x41 7.42x41 A301
7x42 7.43x42 F302